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(a) Schematic diagram of the PVT-SOC mechanism in QTCy7-R. (b) Views from different locations (up, front, and side) of QTCy7-Ac and the torsion angles in the S1 and S1V coordinates. (c) Frontier molecular orbitals (FMOs) and the corresponding energies of QTCy7-Ac in the S1 and S1V coordinates.
